HMDB0285604 RDKit 3D PC(14:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 129128 0 0 0 0 0 0 0 0999 V2000 5.6579 -8.2358 -6.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 -7.3548 -6.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 -6.1162 -5.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -5.1425 -5.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 -5.7283 -4.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -4.6555 -3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 -4.1246 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 -4.5697 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 -4.0166 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2822 -2.9418 0.1012 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2666 -1.8591 -0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 -2.3934 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 -1.3133 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -0.0605 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 0.4030 1.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 1.0700 3.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 1.2312 4.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1918 1.8907 5.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 3.1585 5.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 3.4855 6.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 3.4388 5.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1976 2.5401 4.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 4.4864 4.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 4.3855 3.7832 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4344 5.5429 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 5.2428 1.6505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 4.2025 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 3.6313 1.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 3.7312 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 2.7367 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 2.0914 -2.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 3.0037 -3.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 2.2209 -4.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 1.3259 -5.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 2.1460 -5.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 1.3289 -6.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 0.4366 -5.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 1.2790 -4.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 0.4729 -3.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 1.3944 -2.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 0.5575 -2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 4.3073 4.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 4.2287 3.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 4.1636 3.6893 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.1486 5.3124 3.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 4.2626 5.3654 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.0664 2.7027 3.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9643 1.7130 4.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 0.4071 3.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -0.1611 2.5531 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0839 0.7663 1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6286 -1.3942 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -0.4672 2.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 -8.7464 -6.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -8.9287 -7.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 -7.6002 -7.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -7.9386 -5.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 -7.0532 -7.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 -6.4320 -5.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7446 -5.6285 -6.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -4.8100 -6.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -4.2389 -4.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -6.1653 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -6.4902 -4.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -4.2414 -4.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -3.3498 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -5.3851 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -4.4214 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.3370 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 -1.4793 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 -2.1782 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 -3.2524 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 -1.5876 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 0.6446 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1418 -0.2952 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 1.2554 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 1.4216 3.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 0.7832 3.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 1.0992 6.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 1.9956 5.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2316 3.4499 6.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 4.0138 5.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 4.5696 6.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 2.9596 7.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 3.4565 3.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 6.4432 3.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 5.6325 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5685 3.2783 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 4.5786 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 1.9437 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 3.2318 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 1.4494 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 1.3801 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 3.6117 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 3.6638 -3.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 3.0125 -5.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3188 1.6854 -4.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 0.5661 -4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 0.7685 -5.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 2.7880 -5.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 2.7928 -6.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 2.0489 -7.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8407 0.6811 -7.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 -0.0906 -6.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -0.3209 -5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 2.0157 -5.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 1.8082 -4.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -0.1288 -4.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -0.2330 -3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5834 2.0971 -3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 1.9184 -2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 0.5622 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 0.9602 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -0.5064 -2.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 5.1947 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 3.4358 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 2.0545 5.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 1.5733 4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6393 0.4979 3.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3848 -0.3123 4.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0349 1.3262 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 1.4534 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1761 0.2191 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3744 -1.6972 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7309 -1.2927 2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -2.1591 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 0.4105 2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 -1.2814 3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 -0.9229 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 1 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 6 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 51121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M CHG 2 46 -1 50 1 M END